4-oxidanylidene-4-(1-phenylpyrazol-4-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(1-phenylpyrazol-4-yl)butanoic acid Openeye Name: 4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid CAS Name: 4-oxo-4-(1-phenyl-4-pyrazolyl)butanoic acid IUPAC Name: 4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid Traditional Name: 4-keto-4-(1-phenylpyrazol-4-yl)butyric acid Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H12N2O3/c16-12(6-7-13(17)18)10-8-14-15(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,17,18)